action_type stringclasses 13
values | problem_id stringlengths 36 36 | mp_id stringlengths 6 10 | action_prompt stringlengths 39 448 | input stringlengths 1.11k 8.33k | output stringlengths 595 61.6k |
|---|---|---|---|---|---|
ChangeAtomAction | 06544418-f350-4bf4-a495-e87123c894c8 | mp-1041312 | Change the atom at index 5 into S in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural BaMn4O8
_chemical_formula_sum "Ba1 Mn4 O8"
_cell_length_a 5.64584012
_cell_length_b 5.64584012
_cell_length_c 7.772888
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000136000001
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural BaMn4SO7
_chemical_formula_sum "Ba1 Mn4 S1 O7"
_cell_length_a 5.64584012
_cell_length_b 5.64584012
_cell_length_c 7.772888
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000136000001
_space_group_name_H-M_alt ... |
ChangeAtomAction | e19e2b4e-e59d-4cce-a974-fc7c70b80d30 | mp-27353 | Change the atom at index 64 into Mc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sb12Cl24F36
_chemical_formula_sum "Sb12 Cl24 F36"
_cell_length_a 10.822464
_cell_length_b 11.93148
_cell_length_c 17.59915189
_cell_angle_alpha 51.34062544
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Sb12Cl24F28McF7
_chemical_formula_sum "Sb12 Cl24 F35 Mc1"
_cell_length_a 10.822464
_cell_length_b 11.93148
_cell_length_c 17.59915189
_cell_angle_alpha 51.34062544
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
ChangeAtomAction | 89b55f0e-c4ae-4530-a730-be0ea2f6642a | mp-1028643 | Change the atom at index 7 into Al in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Te6Mo2W2S2
_chemical_formula_sum "Te6 Mo2 W2 S2"
_cell_length_a 3.45920571
_cell_length_b 3.45920571
_cell_length_c 37.26117417
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000709999999
_space_group_name_H-M... | data_image0
_chemical_formula_structural Te6MoAlW2S2
_chemical_formula_sum "Te6 Mo1 Al1 W2 S2"
_cell_length_a 3.45920571
_cell_length_b 3.45920571
_cell_length_c 37.26117417
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000709999999
_space_group_nam... |
ChangeAtomAction | 2d4bb389-2c48-4908-b5b2-31f2ad947b9c | mp-759873 | Change the atom at index 21 into Ne in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sb16O22F4
_chemical_formula_sum "Sb16 O22 F4"
_cell_length_a 4.244161
_cell_length_b 10.515138
_cell_length_c 18.170208560000003
_cell_angle_alpha 88.98562154
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sb16O5NeO16F4
_chemical_formula_sum "Sb16 O21 Ne1 F4"
_cell_length_a 4.244161
_cell_length_b 10.515138
_cell_length_c 18.170208560000003
_cell_angle_alpha 88.98562154
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
ChangeAtomAction | c8a12cf1-adb6-425d-8ea9-cf67ae8c7fb0 | mp-734012 | Change the atom at index 67 into Fr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K8Lu4Si16O44
_chemical_formula_sum "K8 Lu4 Si16 O44"
_cell_length_a 8.625046
_cell_length_b 11.685121
_cell_length_c 11.83010728
_cell_angle_alpha 68.01074026
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K8Lu4Si16O39FrO4
_chemical_formula_sum "K8 Lu4 Si16 O43 Fr1"
_cell_length_a 8.625046
_cell_length_b 11.685121
_cell_length_c 11.83010728
_cell_angle_alpha 68.01074026
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
ChangeAtomAction | f5bfeaef-87b2-4a05-910b-3cff7b58ad61 | mp-2217543 | Change the atom at index 4 into Yb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgCoP2O7
_chemical_formula_sum "Mg1 Co1 P2 O7"
_cell_length_a 4.55394319
_cell_length_b 5.319260319999999
_cell_length_c 5.33297237
_cell_angle_alpha 76.00181915
_cell_angle_beta 81.73553143000001
_cell_angle_gamma 98.37781962
_spa... | data_image0
_chemical_formula_structural MgCoP2YbO6
_chemical_formula_sum "Mg1 Co1 P2 Yb1 O6"
_cell_length_a 4.55394319
_cell_length_b 5.319260319999999
_cell_length_c 5.33297237
_cell_angle_alpha 76.00181915
_cell_angle_beta 81.73553143000001
_cell_angle_gamma 98.37781962... |
ChangeAtomAction | c90690a6-6c9a-4239-91a7-3e7832f7947b | mp-733763 | Change the atom at index 15 into Hs in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cr4Hg4H4O18
_chemical_formula_sum "Cr4 Hg4 H4 O18"
_cell_length_a 6.59140315
_cell_length_b 6.59140315
_cell_length_c 13.51529886
_cell_angle_alpha 72.78458591
_cell_angle_beta 72.78458591
_cell_angle_gamma 47.698904199999994
_spac... | data_image0
_chemical_formula_structural Cr4Hg4H4O3HsO14
_chemical_formula_sum "Cr4 Hg4 H4 O17 Hs1"
_cell_length_a 6.59140315
_cell_length_b 6.59140315
_cell_length_c 13.51529886
_cell_angle_alpha 72.78458591
_cell_angle_beta 72.78458591
_cell_angle_gamma 47.69890419999999... |
ChangeAtomAction | 1bdee58f-f4dc-4dce-9c84-c784d3789b9e | mp-754713 | Change the atom at index 13 into In in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al8Cr4O20
_chemical_formula_sum "Al8 Cr4 O20"
_cell_length_a 5.05828776
_cell_length_b 7.185476969999999
_cell_length_c 10.24938235
_cell_angle_alpha 74.62419369000001
_cell_angle_beta 82.79878355
_cell_angle_gamma 110.2480265400000... | data_image0
_chemical_formula_structural Al8Cr4OInO18
_chemical_formula_sum "Al8 Cr4 O19 In1"
_cell_length_a 5.05828776
_cell_length_b 7.185476969999999
_cell_length_c 10.24938235
_cell_angle_alpha 74.62419369000001
_cell_angle_beta 82.79878355
_cell_angle_gamma 110.248026... |
ChangeAtomAction | a1764613-cb73-4e2f-afb4-bec7a541a915 | mp-1102140 | Change the atom at index 3 into B in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd4Si4Ir4
_chemical_formula_sum "Nd4 Si4 Ir4"
_cell_length_a 6.33666694
_cell_length_b 6.33666694
_cell_length_c 6.33666694
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Nd3BSi4Ir4
_chemical_formula_sum "Nd3 B1 Si4 Ir4"
_cell_length_a 6.33666694
_cell_length_b 6.33666694
_cell_length_c 6.33666694
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
ChangeAtomAction | fe5af030-8a88-44af-98d5-bd504245c898 | mp-667336 | Change the atom at index 25 into Ca in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs16Zr12Te64
_chemical_formula_sum "Cs16 Zr12 Te64"
_cell_length_a 19.784849
_cell_length_b 12.217208
_cell_length_c 17.97604476
_cell_angle_alpha 60.070154949999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Cs16Zr9CaZr2Te64
_chemical_formula_sum "Cs16 Zr11 Ca1 Te64"
_cell_length_a 19.784849
_cell_length_b 12.217208
_cell_length_c 17.97604476
_cell_angle_alpha 60.070154949999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
ChangeAtomAction | 53a3507b-5064-4525-91bd-e06034e6f62a | mp-685281 | Change the atom at index 16 into U in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural TiZnH12O6F6
_chemical_formula_sum "Ti1 Zn1 H12 O6 F6"
_cell_length_a 6.52220492
_cell_length_b 6.52220492
_cell_length_c 6.522205700000001
_cell_angle_alpha 95.56394999
_cell_angle_beta 95.56394999
_cell_angle_gamma 95.56395338
_sp... | data_image0
_chemical_formula_structural TiZnH12O2UO3F6
_chemical_formula_sum "Ti1 Zn1 H12 O5 U1 F6"
_cell_length_a 6.52220492
_cell_length_b 6.52220492
_cell_length_c 6.522205700000001
_cell_angle_alpha 95.56394999
_cell_angle_beta 95.56394999
_cell_angle_gamma 95.5639533... |
ChangeAtomAction | 682ed674-17a6-4da0-90a8-d7dd5f00f504 | mp-558102 | Change the atom at index 11 into Mn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2Li2Si4O10
_chemical_formula_sum "K2 Li2 Si4 O10"
_cell_length_a 4.874509
_cell_length_b 6.0847
_cell_length_c 8.30369295
_cell_angle_alpha 86.56193316
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural K2Li2Si4O3MnO6
_chemical_formula_sum "K2 Li2 Si4 O9 Mn1"
_cell_length_a 4.874509
_cell_length_b 6.0847
_cell_length_c 8.30369295
_cell_angle_alpha 86.56193316
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | e604ac60-d8a6-4a24-85f9-c3186ece27ee | mp-1204112 | Change the atom at index 23 into Ac in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sn2H8S12N12Cl12
_chemical_formula_sum "Sn2 H8 S12 N12 Cl12"
_cell_length_a 13.290174
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... | data_image0
_chemical_formula_structural Sn2H8S12NAcN10Cl12
_chemical_formula_sum "Sn2 H8 S12 N11 Ac1 Cl12"
_cell_length_a 13.290174
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_... |
ChangeAtomAction | 4c007bcb-289b-4dfa-9a1d-175a89c285ac | mp-1516711 | Change the atom at index 31 into Pm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr8Sm4Nb4O24
_chemical_formula_sum "Sr8 Sm4 Nb4 O24"
_cell_length_a 8.46943657
_cell_length_b 8.46943657
_cell_length_c 8.46943657
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Sr8Sm4Nb4O15PmO8
_chemical_formula_sum "Sr8 Sm4 Nb4 O23 Pm1"
_cell_length_a 8.46943657
_cell_length_b 8.46943657
_cell_length_c 8.46943657
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
ChangeAtomAction | 539eafe2-77b5-4509-b3f4-76514e9652e0 | mp-1224199 | Change the atom at index 11 into La in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ho12Co9
_chemical_formula_sum "Ho12 Co9"
_cell_length_a 4.04348636
_cell_length_b 11.13594434
_cell_length_c 11.13575248
_cell_angle_alpha 60.0033272
_cell_angle_beta 90.00003881
_cell_angle_gamma 90.00060509000001
_space_group_nam... | data_image0
_chemical_formula_structural Ho11LaCo9
_chemical_formula_sum "Ho11 La1 Co9"
_cell_length_a 4.04348636
_cell_length_b 11.13594434
_cell_length_c 11.13575248
_cell_angle_alpha 60.0033272
_cell_angle_beta 90.00003881
_cell_angle_gamma 90.00060509000001
_space_gro... |
ChangeAtomAction | c0f0ba20-817f-4ffe-8ab1-41c2f2f3ba0e | mp-1173638 | Change the atom at index 20 into Hs in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr10CuRu4O20
_chemical_formula_sum "Sr10 Cu1 Ru4 O20"
_cell_length_a 8.88667462
_cell_length_b 8.886674619999999
_cell_length_c 8.88667462
_cell_angle_alpha 121.33064908000001
_cell_angle_beta 121.33064908000001
_cell_angle_gamma 87... | data_image0
_chemical_formula_structural Sr10CuRu4O5HsO14
_chemical_formula_sum "Sr10 Cu1 Ru4 O19 Hs1"
_cell_length_a 8.88667462
_cell_length_b 8.886674619999999
_cell_length_c 8.88667462
_cell_angle_alpha 121.33064908000001
_cell_angle_beta 121.33064908000001
_cell_angle_gam... |
ChangeAtomAction | 83b9cd95-d553-4eaa-abcb-e187479200b1 | mp-642822 | Change the atom at index 5 into Nd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4C8
_chemical_formula_sum "Ca4 C8"
_cell_length_a 6.69598787
_cell_length_b 7.744066819999999
_cell_length_c 4.05699111
_cell_angle_alpha 79.01721744
_cell_angle_beta 88.07361974999999
_cell_angle_gamma 70.84437664
_space_group_n... | data_image0
_chemical_formula_structural Ca4CNdC6
_chemical_formula_sum "Ca4 C7 Nd1"
_cell_length_a 6.69598787
_cell_length_b 7.744066819999999
_cell_length_c 4.05699111
_cell_angle_alpha 79.01721744
_cell_angle_beta 88.07361974999999
_cell_angle_gamma 70.84437664
_space_... |
ChangeAtomAction | a46641c5-3aa8-465a-be6c-ddd84d47013a | mp-1218836 | Change the atom at index 12 into B in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2Eu2TlNi2O9
_chemical_formula_sum "Sr2 Eu2 Tl1 Ni2 O9"
_cell_length_a 15.24082335
_cell_length_b 15.235985369999998
_cell_length_c 3.81686703
_cell_angle_alpha 82.87753408
_cell_angle_beta 82.73342978000001
_cell_angle_gamma 14.38... | data_image0
_chemical_formula_structural Sr2Eu2TlNi2O5BO3
_chemical_formula_sum "Sr2 Eu2 Tl1 Ni2 O8 B1"
_cell_length_a 15.24082335
_cell_length_b 15.235985369999998
_cell_length_c 3.81686703
_cell_angle_alpha 82.87753408
_cell_angle_beta 82.73342978000001
_cell_angle_gamma ... |
ChangeAtomAction | e146c0c2-60ae-47b4-9ff4-415a1419ccb6 | mp-1111253 | Change the atom at index 2 into Re in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2AlHgF6
_chemical_formula_sum "Na2 Al1 Hg1 F6"
_cell_length_a 6.106478
_cell_length_b 6.106478000000001
_cell_length_c 6.106478
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999999... | data_image0
_chemical_formula_structural Na2ReHgF6
_chemical_formula_sum "Na2 Re1 Hg1 F6"
_cell_length_a 6.106478
_cell_length_b 6.106478000000001
_cell_length_c 6.106478
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999999... |
ChangeAtomAction | 4e304729-d6fe-472f-9415-a2f5ac4321cc | mp-1079634 | Change the atom at index 6 into Cu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tb4Sn2Au4
_chemical_formula_sum "Tb4 Sn2 Au4"
_cell_length_a 7.91659809
_cell_length_b 7.916598089999999
_cell_length_c 3.75257681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.9980375
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Tb4Sn2CuAu3
_chemical_formula_sum "Tb4 Sn2 Cu1 Au3"
_cell_length_a 7.91659809
_cell_length_b 7.916598089999999
_cell_length_c 3.75257681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.9980375
_space_group_name_H-... |
ChangeAtomAction | 60b6a9d2-48ee-4528-a7cd-57741b5ffeab | mp-1035975 | Change the atom at index 1 into Se in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural YMg14SnO16
_chemical_formula_sum "Y1 Mg14 Sn1 O16"
_cell_length_a 8.842513
_cell_length_b 8.842513
_cell_length_c 4.451059
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural YSeMg13SnO16
_chemical_formula_sum "Y1 Se1 Mg13 Sn1 O16"
_cell_length_a 8.842513
_cell_length_b 8.842513
_cell_length_c 4.451059
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
ChangeAtomAction | c584b952-92de-45c9-8878-03ea242c2117 | mp-2215839 | Change the atom at index 1 into La in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2MgZrCrO6
_chemical_formula_sum "Sr2 Mg1 Zr1 Cr1 O6"
_cell_length_a 6.85052586
_cell_length_b 5.67316694
_cell_length_c 5.44648374
_cell_angle_alpha 90.22336113
_cell_angle_beta 118.44826585999999
_cell_angle_gamma 114.57133378999... | data_image0
_chemical_formula_structural SrLaMgZrCrO6
_chemical_formula_sum "Sr1 La1 Mg1 Zr1 Cr1 O6"
_cell_length_a 6.85052586
_cell_length_b 5.67316694
_cell_length_c 5.44648374
_cell_angle_alpha 90.22336113
_cell_angle_beta 118.44826585999999
_cell_angle_gamma 114.571333... |
ChangeAtomAction | 52df3ac7-bae3-49c9-80e8-5ec1fb961446 | mp-1213803 | Change the atom at index 16 into K in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co2H12Br4
_chemical_formula_sum "Co2 H12 Br4"
_cell_length_a 7.34591159
_cell_length_b 4.967486
_cell_length_c 8.88894512
_cell_angle_alpha 90.0
_cell_angle_beta 96.30320412
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Co2H12Br2KBr
_chemical_formula_sum "Co2 H12 Br3 K1"
_cell_length_a 7.34591159
_cell_length_b 4.967486
_cell_length_c 8.88894512
_cell_angle_alpha 90.0
_cell_angle_beta 96.30320412
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 2aeb15a1-6b86-4d7a-b38c-2526a1bdc84e | mp-1019801 | Change the atom at index 10 into Yb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K8PO3
_chemical_formula_sum "K8 P1 O3"
_cell_length_a 6.855021
_cell_length_b 6.855021
_cell_length_c 6.855021
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_n... | data_image0
_chemical_formula_structural K8POYbO
_chemical_formula_sum "K8 P1 O2 Yb1"
_cell_length_a 6.855021
_cell_length_b 6.855021
_cell_length_c 6.855021
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... |
ChangeAtomAction | a6dfe28d-6956-4ed9-9d8a-47cceb73ce47 | mp-1112234 | Change the atom at index 9 into Zn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2GaHgF6
_chemical_formula_sum "K2 Ga1 Hg1 F6"
_cell_length_a 6.30962129
_cell_length_b 6.30962129
_cell_length_c 6.30962129
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural K2GaHgF5Zn
_chemical_formula_sum "K2 Ga1 Hg1 F5 Zn1"
_cell_length_a 6.30962129
_cell_length_b 6.30962129
_cell_length_c 6.30962129
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
ChangeAtomAction | 78d52f79-d8d2-46d9-9134-bb9b8b0b4dc0 | mp-862605 | Change the atom at index 19 into Fr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb4Zr6CCl18
_chemical_formula_sum "Rb4 Zr6 C1 Cl18"
_cell_length_a 10.33285124
_cell_length_b 10.33285124
_cell_length_c 10.01703386
_cell_angle_alpha 77.27577493
_cell_angle_beta 77.27577493
_cell_angle_gamma 117.51322988
_space_g... | data_image0
_chemical_formula_structural Rb4Zr6CCl8FrCl9
_chemical_formula_sum "Rb4 Zr6 C1 Cl17 Fr1"
_cell_length_a 10.33285124
_cell_length_b 10.33285124
_cell_length_c 10.01703386
_cell_angle_alpha 77.27577493
_cell_angle_beta 77.27577493
_cell_angle_gamma 117.51322988
... |
ChangeAtomAction | 2bef08fb-b244-4661-aadb-8b9783ac0fda | mp-779472 | Change the atom at index 28 into Gd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li10Cu2P4O16
_chemical_formula_sum "Li10 Cu2 P4 O16"
_cell_length_a 5.33075
_cell_length_b 6.21188206
_cell_length_c 9.952614719999998
_cell_angle_alpha 90.05458698
_cell_angle_beta 90.09321507
_cell_angle_gamma 90.11288745
_space_... | data_image0
_chemical_formula_structural Li10Cu2P4O12GdO3
_chemical_formula_sum "Li10 Cu2 P4 O15 Gd1"
_cell_length_a 5.33075
_cell_length_b 6.21188206
_cell_length_c 9.952614719999998
_cell_angle_alpha 90.05458698
_cell_angle_beta 90.09321507
_cell_angle_gamma 90.11288745
... |
ChangeAtomAction | bf5fbd6a-5be9-4f73-8c2b-ee71f9709b86 | mp-1209474 | Change the atom at index 2 into K in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm4Ni4Pb4
_chemical_formula_sum "Sm4 Ni4 Pb4"
_cell_length_a 4.58978341
_cell_length_b 7.33181523
_cell_length_c 7.87051051
_cell_angle_alpha 90.00819843
_cell_angle_beta 90.04042330000001
_cell_angle_gamma 89.97303752
_space_group... | data_image0
_chemical_formula_structural Sm2KSmNi4Pb4
_chemical_formula_sum "Sm3 K1 Ni4 Pb4"
_cell_length_a 4.58978341
_cell_length_b 7.33181523
_cell_length_c 7.87051051
_cell_angle_alpha 90.00819843
_cell_angle_beta 90.04042330000001
_cell_angle_gamma 89.97303752
_space... |
ChangeAtomAction | 48422962-f57d-4cae-997d-3ec40ca219ad | mp-1220416 | Change the atom at index 8 into Cu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nb2Fe2O8
_chemical_formula_sum "Nb2 Fe2 O8"
_cell_length_a 4.732602
_cell_length_b 5.045943
_cell_length_c 5.717672
_cell_angle_alpha 89.99997862
_cell_angle_beta 89.99997787
_cell_angle_gamma 90.00033981
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nb2Fe2O4CuO3
_chemical_formula_sum "Nb2 Fe2 O7 Cu1"
_cell_length_a 4.732602
_cell_length_b 5.045943
_cell_length_c 5.717672
_cell_angle_alpha 89.99997862
_cell_angle_beta 89.99997787
_cell_angle_gamma 90.00033981
_space_group_name_... |
ChangeAtomAction | ef98fc2c-b8b1-407d-b91f-2a9886d16886 | mp-1210838 | Change the atom at index 7 into Mo in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg2P2H12N2O10
_chemical_formula_sum "Mg2 P2 H12 N2 O10"
_cell_length_a 5.398913
_cell_length_b 7.180609
_cell_length_c 10.282645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Mg2P2H3MoH8N2O10
_chemical_formula_sum "Mg2 P2 H11 Mo1 N2 O10"
_cell_length_a 5.398913
_cell_length_b 7.180609
_cell_length_c 10.282645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 0edf53d4-3777-4405-88d2-18f2b3138915 | mp-21717 | Change the atom at index 20 into Mo in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe28C12
_chemical_formula_sum "Fe28 C12"
_cell_length_a 4.517344
_cell_length_b 6.857112
_cell_length_c 11.762107
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_I... | data_image0
_chemical_formula_structural Fe20MoFe7C12
_chemical_formula_sum "Fe27 Mo1 C12"
_cell_length_a 4.517344
_cell_length_b 6.857112
_cell_length_c 11.762107
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
ChangeAtomAction | 18983538-b212-4602-84f9-a07befea4712 | mp-8081 | Change the atom at index 13 into In in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na4Sn2F12
_chemical_formula_sum "Na4 Sn2 F12"
_cell_length_a 5.02261199
_cell_length_b 5.02261199
_cell_length_c 10.03062163
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Na4Sn2F7InF4
_chemical_formula_sum "Na4 Sn2 F11 In1"
_cell_length_a 5.02261199
_cell_length_b 5.02261199
_cell_length_c 10.03062163
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
ChangeAtomAction | 8dca99dc-14e7-42b2-bcdf-bb60bae3d555 | mp-800259 | Change the atom at index 11 into Tc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li5Cr3FeO8
_chemical_formula_sum "Li5 Cr3 Fe1 O8"
_cell_length_a 5.994255
_cell_length_b 5.9972526
_cell_length_c 6.05051969
_cell_angle_alpha 119.50204335000001
_cell_angle_beta 90.27845360999999
_cell_angle_gamma 119.8688950300000... | data_image0
_chemical_formula_structural Li5Cr3FeO2TcO5
_chemical_formula_sum "Li5 Cr3 Fe1 O7 Tc1"
_cell_length_a 5.994255
_cell_length_b 5.9972526
_cell_length_c 6.05051969
_cell_angle_alpha 119.50204335000001
_cell_angle_beta 90.27845360999999
_cell_angle_gamma 119.86889... |
ChangeAtomAction | 6a70f29f-9f52-4f9c-b22f-fa7ff5669497 | mp-1194481 | Change the atom at index 19 into Ru in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr6Sn6Au16
_chemical_formula_sum "Sr6 Sn6 Au16"
_cell_length_a 4.805574
_cell_length_b 9.803317
_cell_length_c 14.269834
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Sr6Sn6Au7RuAu8
_chemical_formula_sum "Sr6 Sn6 Au15 Ru1"
_cell_length_a 4.805574
_cell_length_b 9.803317
_cell_length_c 14.269834
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
ChangeAtomAction | fde56261-b9d6-4a29-9d2a-b077dc41db18 | mp-1209658 | Change the atom at index 26 into Pt in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pr10C12Br6
_chemical_formula_sum "Pr10 C12 Br6"
_cell_length_a 3.93498562
_cell_length_b 11.631626369999998
_cell_length_c 14.0197456
_cell_angle_alpha 79.80498043
_cell_angle_beta 81.94104415
_cell_angle_gamma 80.37070865
_space_g... | data_image0
_chemical_formula_structural Pr10C12Br4PtBr
_chemical_formula_sum "Pr10 C12 Br5 Pt1"
_cell_length_a 3.93498562
_cell_length_b 11.631626369999998
_cell_length_c 14.0197456
_cell_angle_alpha 79.80498043
_cell_angle_beta 81.94104415
_cell_angle_gamma 80.37070865
... |
ChangeAtomAction | 2e51f962-8286-45c7-8bc1-d46431b41ed0 | mp-28763 | Change the atom at index 38 into B in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca16As16Pd16
_chemical_formula_sum "Ca16 As16 Pd16"
_cell_length_a 7.16018011
_cell_length_b 8.67165053
_cell_length_c 16.69388756
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ca16As16Pd6BPd9
_chemical_formula_sum "Ca16 As16 Pd15 B1"
_cell_length_a 7.16018011
_cell_length_b 8.67165053
_cell_length_c 16.69388756
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 34719796-a5d2-4eed-acc7-5778ddfbc6bf | mp-1032803 | Change the atom at index 14 into Tl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg6MnZnO8
_chemical_formula_sum "Mg6 Mn1 Zn1 O8"
_cell_length_a 8.60024287
_cell_length_b 4.31000015
_cell_length_c 4.31000015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Mg6MnZnO6TlO
_chemical_formula_sum "Mg6 Mn1 Zn1 O7 Tl1"
_cell_length_a 8.60024287
_cell_length_b 4.31000015
_cell_length_c 4.31000015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 217f83dd-719a-4ba2-8c63-6e755e6a3ea4 | mp-1017477 | Change the atom at index 11 into Ga in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La2Mg12W2
_chemical_formula_sum "La2 Mg12 W2"
_cell_length_a 5.020477
_cell_length_b 6.432658
_cell_length_c 11.360022
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural La2Mg9GaMg2W2
_chemical_formula_sum "La2 Mg11 Ga1 W2"
_cell_length_a 5.020477
_cell_length_b 6.432658
_cell_length_c 11.360022
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
ChangeAtomAction | cd7a619a-4a9c-4ea6-8b1b-f135865b4090 | mp-2218799 | Change the atom at index 3 into Nb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural NaMgFeSe2O8
_chemical_formula_sum "Na1 Mg1 Fe1 Se2 O8"
_cell_length_a 5.27080621
_cell_length_b 5.3473582
_cell_length_c 7.01823502
_cell_angle_alpha 88.14316109
_cell_angle_beta 92.70554027
_cell_angle_gamma 67.853843
_space_group... | data_image0
_chemical_formula_structural NaMgFeNbSeO8
_chemical_formula_sum "Na1 Mg1 Fe1 Nb1 Se1 O8"
_cell_length_a 5.27080621
_cell_length_b 5.3473582
_cell_length_c 7.01823502
_cell_angle_alpha 88.14316109
_cell_angle_beta 92.70554027
_cell_angle_gamma 67.853843
_space_... |
ChangeAtomAction | fda243ac-8ed0-4453-8ec0-399b9904743c | mp-685281 | Change the atom at index 7 into Hf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural TiZnH12O6F6
_chemical_formula_sum "Ti1 Zn1 H12 O6 F6"
_cell_length_a 6.52220492
_cell_length_b 6.52220492
_cell_length_c 6.522205700000001
_cell_angle_alpha 95.56394999
_cell_angle_beta 95.56394999
_cell_angle_gamma 95.56395338
_sp... | data_image0
_chemical_formula_structural TiZnH5HfH6O6F6
_chemical_formula_sum "Ti1 Zn1 H11 Hf1 O6 F6"
_cell_length_a 6.52220492
_cell_length_b 6.52220492
_cell_length_c 6.522205700000001
_cell_angle_alpha 95.56394999
_cell_angle_beta 95.56394999
_cell_angle_gamma 95.563953... |
ChangeAtomAction | e9fb9240-84cf-4a00-ba9e-31b3b273e695 | mp-1228545 | Change the atom at index 17 into Cf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2Sr2Y2Cu6O13
_chemical_formula_sum "Ba2 Sr2 Y2 Cu6 O13"
_cell_length_a 12.40091246
_cell_length_b 12.37274741
_cell_length_c 5.46917834
_cell_angle_alpha 77.5339258
_cell_angle_beta 76.95836211
_cell_angle_gamma 25.507712090000005... | data_image0
_chemical_formula_structural Ba2Sr2Y2Cu6O5CfO7
_chemical_formula_sum "Ba2 Sr2 Y2 Cu6 O12 Cf1"
_cell_length_a 12.40091246
_cell_length_b 12.37274741
_cell_length_c 5.46917834
_cell_angle_alpha 77.5339258
_cell_angle_beta 76.95836211
_cell_angle_gamma 25.50771209... |
ChangeAtomAction | 798e94ff-e7aa-4614-a8cf-c018b6e75a11 | mp-1518745 | Change the atom at index 2 into Sg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural SrEuFeBiO6
_chemical_formula_sum "Sr1 Eu1 Fe1 Bi1 O6"
_cell_length_a 5.82557674
_cell_length_b 5.82557674
_cell_length_c 5.82557674
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural SrEuSgBiO6
_chemical_formula_sum "Sr1 Eu1 Sg1 Bi1 O6"
_cell_length_a 5.82557674
_cell_length_b 5.82557674
_cell_length_c 5.82557674
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
ChangeAtomAction | b406fe87-8bd3-479e-ab21-601e237d9aa5 | mp-1179984 | Change the atom at index 18 into F in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pt4Br12N8
_chemical_formula_sum "Pt4 Br12 N8"
_cell_length_a 9.81559763
_cell_length_b 9.13628541
_cell_length_c 10.39186268
_cell_angle_alpha 80.59246681
_cell_angle_beta 54.876923160000004
_cell_angle_gamma 67.77205296000001
_spa... | data_image0
_chemical_formula_structural Pt4Br12N2FN5
_chemical_formula_sum "Pt4 Br12 N7 F1"
_cell_length_a 9.81559763
_cell_length_b 9.13628541
_cell_length_c 10.39186268
_cell_angle_alpha 80.59246681
_cell_angle_beta 54.876923160000004
_cell_angle_gamma 67.77205296000001... |
ChangeAtomAction | 65ee01ad-760d-47f3-90a1-4bcc90fe26be | mp-1104537 | Change the atom at index 5 into H in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural NdAl8Cr4
_chemical_formula_sum "Nd1 Al8 Cr4"
_cell_length_a 5.060121
_cell_length_b 6.84892539
_cell_length_c 6.84892539
_cell_angle_alpha 82.15673342
_cell_angle_beta 68.32076968
_cell_angle_gamma 68.32076968
_space_group_name_H-M... | data_image0
_chemical_formula_structural NdAl4HAl3Cr4
_chemical_formula_sum "Nd1 Al7 H1 Cr4"
_cell_length_a 5.060121
_cell_length_b 6.84892539
_cell_length_c 6.84892539
_cell_angle_alpha 82.15673342
_cell_angle_beta 68.32076968
_cell_angle_gamma 68.32076968
_space_group_n... |
ChangeAtomAction | dd678eb8-bb97-4762-98b9-2b92ee4f6eac | mp-1026412 | Change the atom at index 10 into Sr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural BaMg14Sn
_chemical_formula_sum "Ba1 Mg14 Sn1"
_cell_length_a 6.57999714
_cell_length_b 6.57999657
_cell_length_c 10.76078634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural BaMg9SrMg4Sn
_chemical_formula_sum "Ba1 Mg13 Sr1 Sn1"
_cell_length_a 6.57999714
_cell_length_b 6.57999657
_cell_length_c 10.76078634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_nam... |
ChangeAtomAction | 50cfba63-2479-4dc4-a7fd-5b24541e267d | mp-545404 | Change the atom at index 11 into Mn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural SrGd2Al2O7
_chemical_formula_sum "Sr1 Gd2 Al2 O7"
_cell_length_a 10.27591848
_cell_length_b 10.27591848
_cell_length_c 10.27591848
_cell_angle_alpha 159.00615157
_cell_angle_beta 159.00615157
_cell_angle_gamma 29.86077711999998
_sp... | data_image0
_chemical_formula_structural SrGd2Al2O6Mn
_chemical_formula_sum "Sr1 Gd2 Al2 O6 Mn1"
_cell_length_a 10.27591848
_cell_length_b 10.27591848
_cell_length_c 10.27591848
_cell_angle_alpha 159.00615157
_cell_angle_beta 159.00615157
_cell_angle_gamma 29.8607771199999... |
ChangeAtomAction | eb43b91a-e4e1-49e0-ad88-c008fc60b9ce | mp-1214455 | Change the atom at index 24 into K in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba4Fe8Si8O28
_chemical_formula_sum "Ba4 Fe8 Si8 O28"
_cell_length_a 14.016061
_cell_length_b 7.209923
_cell_length_c 7.607207749999999
_cell_angle_alpha 61.73702037999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Ba4Fe8Si8O4KO23
_chemical_formula_sum "Ba4 Fe8 Si8 O27 K1"
_cell_length_a 14.016061
_cell_length_b 7.209923
_cell_length_c 7.607207749999999
_cell_angle_alpha 61.73702037999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
ChangeAtomAction | 1b222e5b-4201-4831-9dae-5f09b63b1ca8 | mp-1043054 | Change the atom at index 25 into U in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti4Zn4Ni4P8O36
_chemical_formula_sum "Ti4 Zn4 Ni4 P8 O36"
_cell_length_a 6.272034
_cell_length_b 7.343253
_cell_length_c 14.359966
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ti4Zn4Ni4P8O5UO30
_chemical_formula_sum "Ti4 Zn4 Ni4 P8 O35 U1"
_cell_length_a 6.272034
_cell_length_b 7.343253
_cell_length_c 14.359966
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 5fe1179c-7de8-4d1c-ab51-6e4410459a33 | mp-1223532 | Change the atom at index 2 into Ir in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2La2C2O8
_chemical_formula_sum "K2 La2 C2 O8"
_cell_length_a 3.686097
_cell_length_b 4.760619
_cell_length_c 12.196384
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural K2IrLaC2O8
_chemical_formula_sum "K2 Ir1 La1 C2 O8"
_cell_length_a 3.686097
_cell_length_b 4.760619
_cell_length_c 12.196384
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
ChangeAtomAction | d1083c12-340d-4005-9d29-06bcc9ec88b5 | mp-759887 | Change the atom at index 43 into Th in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr18Ni14O42
_chemical_formula_sum "Sr18 Ni14 O42"
_cell_length_a 13.23519218
_cell_length_b 13.235192179999999
_cell_length_c 13.235192049999998
_cell_angle_alpha 42.20770340999998
_cell_angle_beta 42.207703409999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Sr18Ni14O11ThO30
_chemical_formula_sum "Sr18 Ni14 O41 Th1"
_cell_length_a 13.23519218
_cell_length_b 13.235192179999999
_cell_length_c 13.235192049999998
_cell_angle_alpha 42.20770340999998
_cell_angle_beta 42.207703409999986
_cell_ang... |
ChangeAtomAction | 3f902eec-0ded-43a6-b2a1-d43f92a67698 | mp-626121 | Change the atom at index 15 into Bk in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V3H5O8
_chemical_formula_sum "V3 H5 O8"
_cell_length_a 10.1393081
_cell_length_b 10.15314353
_cell_length_c 4.9295866
_cell_angle_alpha 77.34854725
_cell_angle_beta 102.7674122
_cell_angle_gamma 162.59563102
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural V3H5O7Bk
_chemical_formula_sum "V3 H5 O7 Bk1"
_cell_length_a 10.1393081
_cell_length_b 10.15314353
_cell_length_c 4.9295866
_cell_angle_alpha 77.34854725
_cell_angle_beta 102.7674122
_cell_angle_gamma 162.59563102
_space_group_name... |
ChangeAtomAction | 2f72301e-2c74-4de6-a294-95404880a127 | mp-765641 | Change the atom at index 10 into Pr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Fe8P8O32
_chemical_formula_sum "Li8 Fe8 P8 O32"
_cell_length_a 4.935367
_cell_length_b 7.702235
_cell_length_c 18.4794473
_cell_angle_alpha 89.25448525
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li8Fe2PrFe5P8O32
_chemical_formula_sum "Li8 Fe7 Pr1 P8 O32"
_cell_length_a 4.935367
_cell_length_b 7.702235
_cell_length_c 18.4794473
_cell_angle_alpha 89.25448525
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
ChangeAtomAction | 6407599c-59a3-461b-a4af-ee1bbd7ec1ae | mp-7062 | Change the atom at index 6 into Sm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg3Al9FeSi5
_chemical_formula_sum "Mg3 Al9 Fe1 Si5"
_cell_length_a 6.63447981
_cell_length_b 6.634479809999999
_cell_length_c 7.86912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999808999999
_space_group_na... | data_image0
_chemical_formula_structural Mg3Al3SmAl5FeSi5
_chemical_formula_sum "Mg3 Al8 Sm1 Fe1 Si5"
_cell_length_a 6.63447981
_cell_length_b 6.634479809999999
_cell_length_c 7.86912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999808999999
_space... |
ChangeAtomAction | 7849c29d-9ffc-4e56-a058-59c66ec4e3e5 | mp-1221030 | Change the atom at index 47 into Tc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ni32Sn24
_chemical_formula_sum "Ni32 Sn24"
_cell_length_a 5.213783
_cell_length_b 7.066098
_cell_length_c 24.57819798
_cell_angle_alpha 89.90060383000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ni32Sn15TcSn8
_chemical_formula_sum "Ni32 Sn23 Tc1"
_cell_length_a 5.213783
_cell_length_b 7.066098
_cell_length_c 24.57819798
_cell_angle_alpha 89.90060383000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
ChangeAtomAction | d8074b79-a5f2-4d50-b97b-4961c8dc93bd | mp-759549 | Change the atom at index 21 into Sg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn2P8O24
_chemical_formula_sum "Mn2 P8 O24"
_cell_length_a 8.773979
_cell_length_b 7.132297
_cell_length_c 8.45164641
_cell_angle_alpha 57.34594921
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Mn2P8O11SgO12
_chemical_formula_sum "Mn2 P8 O23 Sg1"
_cell_length_a 8.773979
_cell_length_b 7.132297
_cell_length_c 8.45164641
_cell_angle_alpha 57.34594921
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 730b250f-c9cf-42b7-b942-eef247b78c04 | mp-1113577 | Change the atom at index 6 into Mn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs2AlAgBr6
_chemical_formula_sum "Cs2 Al1 Ag1 Br6"
_cell_length_a 7.73385031
_cell_length_b 7.73385031
_cell_length_c 7.73385031
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Cs2AlAgBr2MnBr3
_chemical_formula_sum "Cs2 Al1 Ag1 Br5 Mn1"
_cell_length_a 7.73385031
_cell_length_b 7.73385031
_cell_length_c 7.73385031
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99... |
ChangeAtomAction | 557c368b-a1e4-4885-8559-cfa5fada2f93 | mp-13211 | Change the atom at index 16 into U in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ag4Te4O14
_chemical_formula_sum "Ag4 Te4 O14"
_cell_length_a 7.32596274
_cell_length_b 7.32592416
_cell_length_c 7.32592584
_cell_angle_alpha 120.35561923
_cell_angle_beta 117.89328692000001
_cell_angle_gamma 91.53610832000001
_spa... | data_image0
_chemical_formula_structural Ag4Te4O8UO5
_chemical_formula_sum "Ag4 Te4 O13 U1"
_cell_length_a 7.32596274
_cell_length_b 7.32592416
_cell_length_c 7.32592584
_cell_angle_alpha 120.35561923
_cell_angle_beta 117.89328692000001
_cell_angle_gamma 91.53610832000001
... |
ChangeAtomAction | 58766bbe-b450-4684-90f8-22954aa86362 | mp-1197552 | Change the atom at index 26 into Tl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural U8Pb4Se20
_chemical_formula_sum "U8 Pb4 Se20"
_cell_length_a 7.822693
_cell_length_b 8.1085
_cell_length_c 12.886077
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural U8Pb4Se14TlSe5
_chemical_formula_sum "U8 Pb4 Se19 Tl1"
_cell_length_a 7.822693
_cell_length_b 8.1085
_cell_length_c 12.886077
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
ChangeAtomAction | e73f1647-e1a0-428c-9b06-90e8010e8a7d | mp-703305 | Change the atom at index 14 into Po in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8P4H4O16
_chemical_formula_sum "Na8 P4 H4 O16"
_cell_length_a 6.927296
_cell_length_b 5.506799
_cell_length_c 11.080738149999998
_cell_angle_alpha 63.67625642000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... | data_image0
_chemical_formula_structural Na8P4H2PoHO16
_chemical_formula_sum "Na8 P4 H3 Po1 O16"
_cell_length_a 6.927296
_cell_length_b 5.506799
_cell_length_c 11.080738149999998
_cell_angle_alpha 63.67625642000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
ChangeAtomAction | 278166a7-fa17-46b0-b7c9-9c709d7db02a | mp-2240398 | Change the atom at index 3 into Fl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2TmMgNbO6
_chemical_formula_sum "Ba2 Tm1 Mg1 Nb1 O6"
_cell_length_a 6.75880253
_cell_length_b 6.75552657
_cell_length_c 6.75552659
_cell_angle_alpha 52.21155875999998
_cell_angle_beta 52.209163479999994
_cell_angle_gamma 52.209159... | data_image0
_chemical_formula_structural Ba2TmFlNbO6
_chemical_formula_sum "Ba2 Tm1 Fl1 Nb1 O6"
_cell_length_a 6.75880253
_cell_length_b 6.75552657
_cell_length_c 6.75552659
_cell_angle_alpha 52.21155875999998
_cell_angle_beta 52.209163479999994
_cell_angle_gamma 52.209159... |
ChangeAtomAction | 4e29cb92-f6f7-49d7-8235-839eb52d0759 | mp-720255 | Change the atom at index 40 into Ga in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr20P12ClO48F3
_chemical_formula_sum "Sr20 P12 Cl1 O48 F3"
_cell_length_a 7.359952
_cell_length_b 9.90469101
_cell_length_c 17.15408517
_cell_angle_alpha 90.00811632999998
_cell_angle_beta 90.00065799
_cell_angle_gamma 90.0023196699... | data_image0
_chemical_formula_structural Sr20P12ClO7GaO40F3
_chemical_formula_sum "Sr20 P12 Cl1 O47 Ga1 F3"
_cell_length_a 7.359952
_cell_length_b 9.90469101
_cell_length_c 17.15408517
_cell_angle_alpha 90.00811632999998
_cell_angle_beta 90.00065799
_cell_angle_gamma 90.00... |
ChangeAtomAction | 0579ea68-113d-4f24-a5cf-272a9dda7b0a | mp-27741 | Change the atom at index 0 into Bi in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Te4Au4I4
_chemical_formula_sum "Te4 Au4 I4"
_cell_length_a 7.30427224
_cell_length_b 7.646308469999999
_cell_length_c 7.82800078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.89488352
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural BiTe3Au4I4
_chemical_formula_sum "Bi1 Te3 Au4 I4"
_cell_length_a 7.30427224
_cell_length_b 7.646308469999999
_cell_length_c 7.82800078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.89488352
_space_group_name_H-... |
ChangeAtomAction | 2d792b43-9d20-4afd-9399-3cfacff3b057 | mp-1179899 | Change the atom at index 24 into C in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pt4N8Cl8O8
_chemical_formula_sum "Pt4 N8 Cl8 O8"
_cell_length_a 7.528554
_cell_length_b 7.528554
_cell_length_c 16.85768
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Pt4N8Cl8O4CO3
_chemical_formula_sum "Pt4 N8 Cl8 O7 C1"
_cell_length_a 7.528554
_cell_length_b 7.528554
_cell_length_c 16.85768
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
ChangeAtomAction | 9a2e6f52-147d-4dd5-8f3e-631a553a412d | mp-29267 | Change the atom at index 33 into Rf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sn20Sb8S36
_chemical_formula_sum "Sn20 Sb8 S36"
_cell_length_a 11.533373
_cell_length_b 11.62481
_cell_length_c 11.663316
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Sn20Sb8S5RfS30
_chemical_formula_sum "Sn20 Sb8 S35 Rf1"
_cell_length_a 11.533373
_cell_length_b 11.62481
_cell_length_c 11.663316
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
ChangeAtomAction | d26cf92f-330c-4784-ba70-e29ff8b66f97 | mp-1225820 | Change the atom at index 0 into Pt in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Er3Ga8Ni3
_chemical_formula_sum "Er3 Ga8 Ni3"
_cell_length_a 7.96507008
_cell_length_b 7.96507008
_cell_length_c 9.50361869
_cell_angle_alpha 54.23683748
_cell_angle_beta 54.23683748
_cell_angle_gamma 30.009609399999995
_space_grou... | data_image0
_chemical_formula_structural PtEr2Ga8Ni3
_chemical_formula_sum "Pt1 Er2 Ga8 Ni3"
_cell_length_a 7.96507008
_cell_length_b 7.96507008
_cell_length_c 9.50361869
_cell_angle_alpha 54.23683748
_cell_angle_beta 54.23683748
_cell_angle_gamma 30.009609399999995
_spac... |
ChangeAtomAction | 8c38bc6d-af9b-4a94-8697-ee94b75d6608 | mp-1247664 | Change the atom at index 15 into Yb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr3Ca5Mn8O24
_chemical_formula_sum "Sr3 Ca5 Mn8 O24"
_cell_length_a 7.667348
_cell_length_b 7.667378
_cell_length_c 7.667348
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Sr3Ca5Mn7YbO24
_chemical_formula_sum "Sr3 Ca5 Mn7 Yb1 O24"
_cell_length_a 7.667348
_cell_length_b 7.667378
_cell_length_c 7.667348
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
ChangeAtomAction | b8cebb3c-d252-4cf1-9448-6d0dd74c2804 | mp-636519 | Change the atom at index 7 into I in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ni2Rh4O8
_chemical_formula_sum "Ni2 Rh4 O8"
_cell_length_a 5.96787122
_cell_length_b 6.14836507
_cell_length_c 5.96791536
_cell_angle_alpha 119.02436597
_cell_angle_beta 90.00320417
_cell_angle_gamma 119.02240357
_space_group_name_... | data_image0
_chemical_formula_structural Ni2Rh4OIO6
_chemical_formula_sum "Ni2 Rh4 O7 I1"
_cell_length_a 5.96787122
_cell_length_b 6.14836507
_cell_length_c 5.96791536
_cell_angle_alpha 119.02436597
_cell_angle_beta 90.00320417
_cell_angle_gamma 119.02240357
_space_group_... |
ChangeAtomAction | a680912c-f911-45bb-815d-b5385db00dcb | mp-1020642 | Change the atom at index 31 into As in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr12Y8B16O48
_chemical_formula_sum "Sr12 Y8 B16 O48"
_cell_length_a 7.548728
_cell_length_b 8.728134
_cell_length_c 15.798097
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Sr12Y8B11AsB4O48
_chemical_formula_sum "Sr12 Y8 B15 As1 O48"
_cell_length_a 7.548728
_cell_length_b 8.728134
_cell_length_c 15.798097
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 680a6e5a-ddfe-4c25-b7a0-93f99ee86c32 | mp-11609 | Change the atom at index 1 into Rn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sb2Mo4S4
_chemical_formula_sum "Sb2 Mo4 S4"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural SbRnMo4S4
_chemical_formula_sum "Sb1 Rn1 Mo4 S4"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 82b84c9f-f7fb-41e5-888c-d7c0826b2498 | mp-34578 | Change the atom at index 9 into Ag in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba8Y6F34
_chemical_formula_sum "Ba8 Y6 F34"
_cell_length_a 9.30934256
_cell_length_b 9.28939294
_cell_length_c 9.37462646
_cell_angle_alpha 72.82400591
_cell_angle_beta 72.84749938
_cell_angle_gamma 72.95756218
_space_group_name_H-... | data_image0
_chemical_formula_structural Ba8YAgY4F34
_chemical_formula_sum "Ba8 Y5 Ag1 F34"
_cell_length_a 9.30934256
_cell_length_b 9.28939294
_cell_length_c 9.37462646
_cell_angle_alpha 72.82400591
_cell_angle_beta 72.84749938
_cell_angle_gamma 72.95756218
_space_group_... |
ChangeAtomAction | b14fe497-1e8f-4196-bba0-a6d87f5a668f | mp-1199595 | Change the atom at index 23 into Be in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MnSn4H24C8Se10N2
_chemical_formula_sum "Mn1 Sn4 H24 C8 Se10 N2"
_cell_length_a 10.91665963
_cell_length_b 10.91665963
_cell_length_c 10.91665963
_cell_angle_alpha 123.43561498000001
_cell_angle_beta 123.43561498000001
_cell_angle_gamma... | data_image0
_chemical_formula_structural MnSn4H18BeH5C8Se10N2
_chemical_formula_sum "Mn1 Sn4 H23 Be1 C8 Se10 N2"
_cell_length_a 10.91665963
_cell_length_b 10.91665963
_cell_length_c 10.91665963
_cell_angle_alpha 123.43561498000001
_cell_angle_beta 123.43561498000001
_cell_ang... |
ChangeAtomAction | 8646fb82-741f-4dfa-90b4-5acb29de5093 | mp-641010 | Change the atom at index 2 into Pr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La16Te12N8
_chemical_formula_sum "La16 Te12 N8"
_cell_length_a 7.51634334
_cell_length_b 11.69897623
_cell_length_c 11.87870996
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural La2PrLa13Te12N8
_chemical_formula_sum "La15 Pr1 Te12 N8"
_cell_length_a 7.51634334
_cell_length_b 11.69897623
_cell_length_c 11.87870996
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 02094b76-f563-4037-9525-5ef6048c6277 | mp-1176021 | Change the atom at index 22 into Ne in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.113301
_cell_length_b 5.88116853
_cell_length_c 10.47427648
_cell_angle_alpha 74.56119711
_cell_angle_beta 76.33723168
_cell_angle_gamma 74.44210164
_space_group... | data_image0
_chemical_formula_structural Li9Mn2Co5O6NeO9
_chemical_formula_sum "Li9 Mn2 Co5 O15 Ne1"
_cell_length_a 5.113301
_cell_length_b 5.88116853
_cell_length_c 10.47427648
_cell_angle_alpha 74.56119711
_cell_angle_beta 76.33723168
_cell_angle_gamma 74.44210164
_spac... |
ChangeAtomAction | 41dac898-c5c6-4f95-8970-0158a21410d6 | mp-2219397 | Change the atom at index 7 into Zn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Y2MgCr2O8
_chemical_formula_sum "Y2 Mg1 Cr2 O8"
_cell_length_a 5.04606392
_cell_length_b 5.149407280000001
_cell_length_c 7.896295460000001
_cell_angle_alpha 105.43100437999999
_cell_angle_beta 105.25056005
_cell_angle_gamma 100.198... | data_image0
_chemical_formula_structural Y2MgCr2O2ZnO5
_chemical_formula_sum "Y2 Mg1 Cr2 O7 Zn1"
_cell_length_a 5.04606392
_cell_length_b 5.149407280000001
_cell_length_c 7.896295460000001
_cell_angle_alpha 105.43100437999999
_cell_angle_beta 105.25056005
_cell_angle_gamma ... |
ChangeAtomAction | 7eb5c7f3-ca3c-496d-aa5c-bc95af200204 | mp-1174614 | Change the atom at index 5 into Mc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 5.15001998
_cell_length_b 7.71852731
_cell_length_c 7.65829315
_cell_angle_alpha 64.20479296
_cell_angle_beta 83.14441006
_cell_angle_gamma 108.31304287999998
_spa... | data_image0
_chemical_formula_structural Li5McLi2Mn2Co4O14
_chemical_formula_sum "Li7 Mc1 Mn2 Co4 O14"
_cell_length_a 5.15001998
_cell_length_b 7.71852731
_cell_length_c 7.65829315
_cell_angle_alpha 64.20479296
_cell_angle_beta 83.14441006
_cell_angle_gamma 108.31304287999... |
ChangeAtomAction | 45605c43-ecf6-441d-9919-9dc42505113c | mp-766542 | Change the atom at index 8 into Cm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Fe4Si4O16
_chemical_formula_sum "Li4 Fe4 Si4 O16"
_cell_length_a 5.101228
_cell_length_b 6.381028
_cell_length_c 10.84451
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Li4Fe4CmSi3O16
_chemical_formula_sum "Li4 Fe4 Cm1 Si3 O16"
_cell_length_a 5.101228
_cell_length_b 6.381028
_cell_length_c 10.84451
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
ChangeAtomAction | ace86cd2-5de7-4038-93c9-6e780d8081b6 | mp-1219949 | Change the atom at index 10 into S in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pr2AlFe16
_chemical_formula_sum "Pr2 Al1 Fe16"
_cell_length_a 6.47215976
_cell_length_b 6.47215976
_cell_length_c 6.472159590000001
_cell_angle_alpha 82.75117038000002
_cell_angle_beta 82.75117038000002
_cell_angle_gamma 82.75117239... | data_image0
_chemical_formula_structural Pr2AlFe7SFe8
_chemical_formula_sum "Pr2 Al1 Fe15 S1"
_cell_length_a 6.47215976
_cell_length_b 6.47215976
_cell_length_c 6.472159590000001
_cell_angle_alpha 82.75117038000002
_cell_angle_beta 82.75117038000002
_cell_angle_gamma 82.75... |
ChangeAtomAction | 17395e8a-2647-498b-900e-e9c1ccb3d6b9 | mp-7998 | Change the atom at index 15 into Hg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Ge4O10
_chemical_formula_sum "Li4 Ge4 O10"
_cell_length_a 8.20316122
_cell_length_b 8.20316122
_cell_length_c 4.94905911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 137.53420009
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li4Ge4O7HgO2
_chemical_formula_sum "Li4 Ge4 O9 Hg1"
_cell_length_a 8.20316122
_cell_length_b 8.20316122
_cell_length_c 4.94905911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 137.53420009
_space_group_name_H-M_alt... |
ChangeAtomAction | 6890e374-f5c9-494c-9cb2-d64cc43cd5f5 | mp-1103868 | Change the atom at index 1 into Lv in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural ZnRe2O12
_chemical_formula_sum "Zn1 Re2 O12"
_cell_length_a 6.039789
_cell_length_b 7.14870953
_cell_length_c 7.26398357
_cell_angle_alpha 114.88776908999999
_cell_angle_beta 85.61737039
_cell_angle_gamma 113.32795483
_space_group_... | data_image0
_chemical_formula_structural ZnLvReO12
_chemical_formula_sum "Zn1 Lv1 Re1 O12"
_cell_length_a 6.039789
_cell_length_b 7.14870953
_cell_length_c 7.26398357
_cell_angle_alpha 114.88776908999999
_cell_angle_beta 85.61737039
_cell_angle_gamma 113.32795483
_space_g... |
ChangeAtomAction | 3726a357-340b-41d2-a405-83bacb4c6913 | mp-1104546 | Change the atom at index 5 into Am in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co2B6Mo6
_chemical_formula_sum "Co2 B6 Mo6"
_cell_length_a 3.15117013
_cell_length_b 4.49868614
_cell_length_c 10.73849644
_cell_angle_alpha 89.99954025
_cell_angle_beta 90.0
_cell_angle_gamma 110.50151581000001
_space_group_name_H... | data_image0
_chemical_formula_structural Co2B3AmB2Mo6
_chemical_formula_sum "Co2 B5 Am1 Mo6"
_cell_length_a 3.15117013
_cell_length_b 4.49868614
_cell_length_c 10.73849644
_cell_angle_alpha 89.99954025
_cell_angle_beta 90.0
_cell_angle_gamma 110.50151581000001
_space_grou... |
ChangeAtomAction | 87320d7b-deb0-4953-9d01-9b23e305deb8 | mp-560937 | Change the atom at index 17 into Bk in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na6Si6Sn2O18F2
_chemical_formula_sum "Na6 Si6 Sn2 O18 F2"
_cell_length_a 8.75381785
_cell_length_b 8.75381785
_cell_length_c 6.52107054
_cell_angle_alpha 77.06337995
_cell_angle_beta 77.06337995
_cell_angle_gamma 105.87606228000001
... | data_image0
_chemical_formula_structural Na6Si6Sn2O3BkO14F2
_chemical_formula_sum "Na6 Si6 Sn2 O17 Bk1 F2"
_cell_length_a 8.75381785
_cell_length_b 8.75381785
_cell_length_c 6.52107054
_cell_angle_alpha 77.06337995
_cell_angle_beta 77.06337995
_cell_angle_gamma 105.8760622... |
ChangeAtomAction | 3b7cd3d4-b28e-472c-b724-308022bf220a | mp-862697 | Change the atom at index 0 into Kr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Er4Mg2Ge4
_chemical_formula_sum "Er4 Mg2 Ge4"
_cell_length_a 4.17537634
_cell_length_b 7.18786542
_cell_length_c 7.18786542
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural KrEr3Mg2Ge4
_chemical_formula_sum "Kr1 Er3 Mg2 Ge4"
_cell_length_a 4.17537634
_cell_length_b 7.18786542
_cell_length_c 7.18786542
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
ChangeAtomAction | 3cdce76f-887d-4390-8257-275e14a41b90 | mp-34578 | Change the atom at index 17 into Th in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba8Y6F34
_chemical_formula_sum "Ba8 Y6 F34"
_cell_length_a 9.30934256
_cell_length_b 9.28939294
_cell_length_c 9.37462646
_cell_angle_alpha 72.82400591
_cell_angle_beta 72.84749938
_cell_angle_gamma 72.95756218
_space_group_name_H-... | data_image0
_chemical_formula_structural Ba8Y6F3ThF30
_chemical_formula_sum "Ba8 Y6 F33 Th1"
_cell_length_a 9.30934256
_cell_length_b 9.28939294
_cell_length_c 9.37462646
_cell_angle_alpha 72.82400591
_cell_angle_beta 72.84749938
_cell_angle_gamma 72.95756218
_space_group... |
ChangeAtomAction | 80907798-34c3-4209-8f8b-d39434f5ee5d | mp-1111088 | Change the atom at index 3 into F in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2AlAuF6
_chemical_formula_sum "Na2 Al1 Au1 F6"
_cell_length_a 6.01033693
_cell_length_b 6.01033693
_cell_length_c 6.01033693
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural Na2AlF7
_chemical_formula_sum "Na2 Al1 F7"
_cell_length_a 6.01033693
_cell_length_b 6.01033693
_cell_length_c 6.01033693
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_s... |
ChangeAtomAction | ae82000e-cc4a-42b3-a212-5aa8c97b7386 | mp-1210476 | Change the atom at index 58 into Mc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Np2H32C6N8O22
_chemical_formula_sum "Np2 H32 C6 N8 O22"
_cell_length_a 7.30527333
_cell_length_b 7.305273330000001
_cell_length_c 13.02708929
_cell_angle_alpha 87.43786131
_cell_angle_beta 87.43786131
_cell_angle_gamma 78.98552145
... | data_image0
_chemical_formula_structural Np2H32C6N8O10McO11
_chemical_formula_sum "Np2 H32 C6 N8 O21 Mc1"
_cell_length_a 7.30527333
_cell_length_b 7.305273330000001
_cell_length_c 13.02708929
_cell_angle_alpha 87.43786131
_cell_angle_beta 87.43786131
_cell_angle_gamma 78.9... |
ChangeAtomAction | ec5b529b-a4f0-4ad0-a5f6-c3896f9f9921 | mp-1197555 | Change the atom at index 6 into Yb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2Al4Si8O28
_chemical_formula_sum "Ca2 Al4 Si8 O28"
_cell_length_a 10.03255162
_cell_length_b 10.03255162
_cell_length_c 7.582514060000001
_cell_angle_alpha 74.39628326
_cell_angle_beta 74.39628326
_cell_angle_gamma 83.1367042
_sp... | data_image0
_chemical_formula_structural Ca2Al4YbSi7O28
_chemical_formula_sum "Ca2 Al4 Yb1 Si7 O28"
_cell_length_a 10.03255162
_cell_length_b 10.03255162
_cell_length_c 7.582514060000001
_cell_angle_alpha 74.39628326
_cell_angle_beta 74.39628326
_cell_angle_gamma 83.136704... |
ChangeAtomAction | ddad0892-2676-4d5b-9092-8e9706921c46 | mp-770361 | Change the atom at index 31 into Te in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4V8B4O20
_chemical_formula_sum "Li4 V8 B4 O20"
_cell_length_a 3.058613
_cell_length_b 9.314923
_cell_length_c 12.401503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Li4V8B4O15TeO4
_chemical_formula_sum "Li4 V8 B4 O19 Te1"
_cell_length_a 3.058613
_cell_length_b 9.314923
_cell_length_c 12.401503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
ChangeAtomAction | 14896025-cb08-4cb4-a791-71add4c3de64 | mp-1195337 | Change the atom at index 25 into Ba in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ir4Se12Br36
_chemical_formula_sum "Ir4 Se12 Br36"
_cell_length_a 9.68802508
_cell_length_b 12.26402471
_cell_length_c 14.15619962
_cell_angle_alpha 90.80305997999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Ir4Se12Br9BaBr26
_chemical_formula_sum "Ir4 Se12 Br35 Ba1"
_cell_length_a 9.68802508
_cell_length_b 12.26402471
_cell_length_c 14.15619962
_cell_angle_alpha 90.80305997999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
ChangeAtomAction | 8bfb9fc7-5cc0-47d7-bf57-423aca29d476 | mp-1192688 | Change the atom at index 25 into Mo in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zn4N24
_chemical_formula_sum "Zn4 N24"
_cell_length_a 3.46225614
_cell_length_b 16.34917739
_cell_length_c 7.37629299
_cell_angle_alpha 90.0
_cell_angle_beta 111.7166702
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Zn4N21MoN2
_chemical_formula_sum "Zn4 N23 Mo1"
_cell_length_a 3.46225614
_cell_length_b 16.34917739
_cell_length_c 7.37629299
_cell_angle_alpha 90.0
_cell_angle_beta 111.7166702
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
ChangeAtomAction | 8271f511-b8ec-49cd-abd6-4b1c2b0b9689 | mp-38090 | Change the atom at index 21 into Te in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe12Cu6O24
_chemical_formula_sum "Fe12 Cu6 O24"
_cell_length_a 6.05186412
_cell_length_b 6.05186412
_cell_length_c 14.709387490000001
_cell_angle_alpha 87.92009041
_cell_angle_beta 87.92009041
_cell_angle_gamma 59.09715076999999
_s... | data_image0
_chemical_formula_structural Fe12Cu6O3TeO20
_chemical_formula_sum "Fe12 Cu6 O23 Te1"
_cell_length_a 6.05186412
_cell_length_b 6.05186412
_cell_length_c 14.709387490000001
_cell_angle_alpha 87.92009041
_cell_angle_beta 87.92009041
_cell_angle_gamma 59.0971507699... |
ChangeAtomAction | b191fe69-ccc2-46b7-b918-36dd69932978 | mp-530303 | Change the atom at index 23 into As in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg8Ga16O32
_chemical_formula_sum "Mg8 Ga16 O32"
_cell_length_a 5.93530032
_cell_length_b 5.93530032
_cell_length_c 19.652703019999997
_cell_angle_alpha 81.47070874
_cell_angle_beta 81.47070874
_cell_angle_gamma 60.480380989999986
_... | data_image0
_chemical_formula_structural Mg8Ga15AsO32
_chemical_formula_sum "Mg8 Ga15 As1 O32"
_cell_length_a 5.93530032
_cell_length_b 5.93530032
_cell_length_c 19.652703019999997
_cell_angle_alpha 81.47070874
_cell_angle_beta 81.47070874
_cell_angle_gamma 60.480380989999... |
ChangeAtomAction | d3129e82-7f9b-464a-9085-691b2c795f66 | mp-2913130 | Change the atom at index 4 into Os in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3VF8
_chemical_formula_sum "Li3 V1 F8"
_cell_length_a 5.99358865
_cell_length_b 5.9935886499999995
_cell_length_c 5.475367460000001
_cell_angle_alpha 73.83672157
_cell_angle_beta 73.83672157
_cell_angle_gamma 110.45852953
_space_... | data_image0
_chemical_formula_structural Li3VOsF7
_chemical_formula_sum "Li3 V1 Os1 F7"
_cell_length_a 5.99358865
_cell_length_b 5.9935886499999995
_cell_length_c 5.475367460000001
_cell_angle_alpha 73.83672157
_cell_angle_beta 73.83672157
_cell_angle_gamma 110.45852953
_... |
ChangeAtomAction | 5da810e8-d13e-42df-9709-bd01bfff849f | mp-755878 | Change the atom at index 9 into Hs in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cu6OF11
_chemical_formula_sum "Cu6 O1 F11"
_cell_length_a 5.54772546
_cell_length_b 5.83613003
_cell_length_c 6.94050569
_cell_angle_alpha 76.19187362
_cell_angle_beta 72.94332115
_cell_angle_gamma 69.63346733
_space_group_name_H-M... | data_image0
_chemical_formula_structural Cu6OF2HsF8
_chemical_formula_sum "Cu6 O1 F10 Hs1"
_cell_length_a 5.54772546
_cell_length_b 5.83613003
_cell_length_c 6.94050569
_cell_angle_alpha 76.19187362
_cell_angle_beta 72.94332115
_cell_angle_gamma 69.63346733
_space_group_n... |
ChangeAtomAction | 799ea41f-6a49-42ea-abf9-1bc9cea5a454 | mp-1227253 | Change the atom at index 19 into Sr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CaU3Ti8O24
_chemical_formula_sum "Ca1 U3 Ti8 O24"
_cell_length_a 7.50474
_cell_length_b 7.85782394
_cell_length_c 8.45750307
_cell_angle_alpha 98.93237861
_cell_angle_beta 111.53004347
_cell_angle_gamma 94.83442283
_space_group_nam... | data_image0
_chemical_formula_structural CaU3Ti8O7SrO16
_chemical_formula_sum "Ca1 U3 Ti8 O23 Sr1"
_cell_length_a 7.50474
_cell_length_b 7.85782394
_cell_length_c 8.45750307
_cell_angle_alpha 98.93237861
_cell_angle_beta 111.53004347
_cell_angle_gamma 94.83442283
_space_g... |
ChangeAtomAction | 0705b972-5e32-41f0-b30a-a4f93b7914ec | mp-1181827 | Change the atom at index 4 into P in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Er12N4F40
_chemical_formula_sum "Er12 N4 F40"
_cell_length_a 8.12643323
_cell_length_b 8.12643323
_cell_length_c 13.371717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.92402119000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Er4PEr7N4F40
_chemical_formula_sum "Er11 P1 N4 F40"
_cell_length_a 8.12643323
_cell_length_b 8.12643323
_cell_length_c 13.371717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.92402119000002
_space_group_name_H-... |
ChangeAtomAction | 681a15ff-66c0-41bb-bec1-29dd6bf3fac2 | mp-641116 | Change the atom at index 18 into Ra in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural GdMn4Cu3O12
_chemical_formula_sum "Gd1 Mn4 Cu3 O12"
_cell_length_a 6.37845994
_cell_length_b 6.4576094
_cell_length_c 6.45219108
_cell_angle_alpha 111.0051748
_cell_angle_beta 110.61174709
_cell_angle_gamma 107.00825315
_space_grou... | data_image0
_chemical_formula_structural GdMn4Cu3O10RaO
_chemical_formula_sum "Gd1 Mn4 Cu3 O11 Ra1"
_cell_length_a 6.37845994
_cell_length_b 6.4576094
_cell_length_c 6.45219108
_cell_angle_alpha 111.0051748
_cell_angle_beta 110.61174709
_cell_angle_gamma 107.00825315
_spa... |
ChangeAtomAction | ce742775-5942-4278-b577-b98c489e6c0c | mp-1177674 | Change the atom at index 33 into Sc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12Mn16O32
_chemical_formula_sum "Li12 Mn16 O32"
_cell_length_a 8.357872
_cell_length_b 8.88809956
_cell_length_c 10.12754406
_cell_angle_alpha 116.01511995
_cell_angle_beta 114.00596833
_cell_angle_gamma 89.78675433
_space_group_... | data_image0
_chemical_formula_structural Li12Mn16O5ScO26
_chemical_formula_sum "Li12 Mn16 O31 Sc1"
_cell_length_a 8.357872
_cell_length_b 8.88809956
_cell_length_c 10.12754406
_cell_angle_alpha 116.01511995
_cell_angle_beta 114.00596833
_cell_angle_gamma 89.78675433
_spac... |
ChangeAtomAction | 1e4b5dd7-c4da-406f-a2b0-68e7043f016f | mp-1105260 | Change the atom at index 3 into Lv in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tb8In2Ge8Rh2
_chemical_formula_sum "Tb8 In2 Ge8 Rh2"
_cell_length_a 10.44400831
_cell_length_b 10.444008309999997
_cell_length_c 10.37373357
_cell_angle_alpha 75.29995745
_cell_angle_beta 75.29995745
_cell_angle_gamma 23.63367846000... | data_image0
_chemical_formula_structural Tb3LvTb4In2Ge8Rh2
_chemical_formula_sum "Tb7 Lv1 In2 Ge8 Rh2"
_cell_length_a 10.44400831
_cell_length_b 10.444008309999997
_cell_length_c 10.37373357
_cell_angle_alpha 75.29995745
_cell_angle_beta 75.29995745
_cell_angle_gamma 23.63... |
ChangeAtomAction | d11bb588-90c8-45ca-902c-6bba633d01dd | mp-1178619 | Change the atom at index 21 into H in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr2Cl8O32
_chemical_formula_sum "Zr2 Cl8 O32"
_cell_length_a 8.27100313
_cell_length_b 8.27100313
_cell_length_c 13.87605052
_cell_angle_alpha 75.16549651
_cell_angle_beta 75.16549651
_cell_angle_gamma 63.03230164000001
_space_grou... | data_image0
_chemical_formula_structural Zr2Cl8O11HO20
_chemical_formula_sum "Zr2 Cl8 O31 H1"
_cell_length_a 8.27100313
_cell_length_b 8.27100313
_cell_length_c 13.87605052
_cell_angle_alpha 75.16549651
_cell_angle_beta 75.16549651
_cell_angle_gamma 63.03230164000001
_spa... |
ChangeAtomAction | 28b4ac95-5b89-4df2-99db-313280cf4c28 | mp-581602 | Change the atom at index 11 into Db in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zn12S12
_chemical_formula_sum "Zn12 S12"
_cell_length_a 37.83798865
_cell_length_b 37.83798863
_cell_length_c 37.83798932
_cell_angle_alpha 5.84502688000007
_cell_angle_beta 5.8450271900000885
_cell_angle_gamma 5.845026259999922
_s... | data_image0
_chemical_formula_structural Zn11DbS12
_chemical_formula_sum "Zn11 Db1 S12"
_cell_length_a 37.83798865
_cell_length_b 37.83798863
_cell_length_c 37.83798932
_cell_angle_alpha 5.84502688000007
_cell_angle_beta 5.8450271900000885
_cell_angle_gamma 5.8450262599999... |
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